N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

C24H27F3N8O — CID 11562398

IUPACN-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C24H27F3N8O/c1-17-4-6-18(7-5-17)29-21-30-22(32-23(31-21)35-13-15-36-16-14-35)34-11-9-33(10-12-34)20-19(24(25,26)27)3-2-8-28-20/h2-8H,9-16H2,1H3,(H,29,30,31,32)
InChIKeyADQGEJBGRDFSCZ-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.50
Rot. Bonds5

About N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 11562398) has the molecular formula C24H27F3N8O and a molecular weight of 500.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID11562398
Molecular FormulaC24H27F3N8O
Molecular Weight500.53 g/mol
Exact Mass500.23
IUPAC NameN-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/C24H27F3N8O/c1-17-4-6-18(7-5-17)29-21-30-22(32-23(31-21)35-13-15-36-16-14-35)34-11-9-33(10-12-34)20-19(24(25,26)27)3-2-8-28-20/h2-8H,9-16H2,1H3,(H,29,30,31,32)
InChIKeyADQGEJBGRDFSCZ-UHFFFAOYSA-N
XLogP3.50
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 11562398) is N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is ADQGEJBGRDFSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O/c1-17-4-6-18(7-5-17)29-21-30-22(32-23(31-21)35-13-15-36-16-14-35)34-11-9-33(10-12-34)20-19(24(25,26)27)3-2-8-28-20/h2-8H,9-16H2,1H3,(H,29,30,31,32).
What are the key properties of N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 500.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11562398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).